methyl 3-(4-methylanilino)-2-phenylpropanoate

C17H19NO2 — CID 64567482

IUPACmethyl 3-(4-methylanilino)-2-phenylpropanoate
SMILESCOC(=O)C(CNc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13-8-10-15(11-9-13)18-12-16(17(19)20-2)14-6-4-3-5-7-14/h3-11,16,18H,12H2,1-2H3
InChIKeyWYQUAODRGPCDPK-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.36
Rot. Bonds5

About methyl 3-(4-methylanilino)-2-phenylpropanoate

methyl 3-(4-methylanilino)-2-phenylpropanoate (PubChem CID 64567482) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 3-(4-methylanilino)-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(4-methylanilino)-2-phenylpropanoate
PubChem CID64567482
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namemethyl 3-(4-methylanilino)-2-phenylpropanoate
SMILESCOC(=O)C(CNc1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-13-8-10-15(11-9-13)18-12-16(17(19)20-2)14-6-4-3-5-7-14/h3-11,16,18H,12H2,1-2H3
InChIKeyWYQUAODRGPCDPK-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-methylanilino)-2-phenylpropanoate
CID 3694385
methyl 3-(4-methylsulfanylanilino)-2-phenylpropanoate
CID 64565618
methyl 2-phenyl-3-[4-(trifluoromethylsulfonyl)anilino]propanoate
CID 71871507
methyl 3-(3-chloroanilino)-2-phenylpropanoate
CID 64565623
methyl 3-(2,6-difluoroanilino)-2-phenylpropanoate
CID 64565029
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
methyl 3-(5-bromo-2-methylanilino)-2-phenylpropanoate
CID 64567093
methyl (2R)-2-(4-methylphenyl)-2-phenylacetate
CID 54311643
3-(4-ethylanilino)-2-phenylpropanoic acid
CID 64566244
methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate
CID 106275985
methyl 3-(5-chloro-2-fluoroanilino)-2-phenylpropanoate
CID 64566464
methyl 4-amino-2-phenylpentanoate
CID 57041145

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methylanilino)-2-phenylpropanoate?
The IUPAC name of methyl 3-(4-methylanilino)-2-phenylpropanoate (CID 64567482) is methyl 3-(4-methylanilino)-2-phenylpropanoate.
What is the SMILES notation for methyl 3-(4-methylanilino)-2-phenylpropanoate?
The canonical SMILES for methyl 3-(4-methylanilino)-2-phenylpropanoate is COC(=O)C(CNc1ccc(C)cc1)c1ccccc1.
What is the InChIKey of methyl 3-(4-methylanilino)-2-phenylpropanoate?
The InChIKey is WYQUAODRGPCDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-8-10-15(11-9-13)18-12-16(17(19)20-2)14-6-4-3-5-7-14/h3-11,16,18H,12H2,1-2H3.
What are the key properties of methyl 3-(4-methylanilino)-2-phenylpropanoate?
methyl 3-(4-methylanilino)-2-phenylpropanoate has a molecular weight of 269.34 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methylanilino)-2-phenylpropanoate is sourced from PubChem (CID 64567482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).